cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone

C25H30N2O4S — CID 71305140

IUPACcyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1cccc(N2CCC(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C25H30N2O4S/c1-31-21-7-3-6-20(17-21)26-13-11-22(12-14-26)32(29,30)23-8-9-24-19(16-23)10-15-27(24)25(28)18-4-2-5-18/h3,6-9,16-18,22H,2,4-5,10-15H2,1H3
InChIKeyQXOIZUJCJRRFEZ-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.83
Rot. Bonds5

About cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone

cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 71305140) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
PubChem CID71305140
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Namecyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1cccc(N2CCC(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C25H30N2O4S/c1-31-21-7-3-6-20(17-21)26-13-11-22(12-14-26)32(29,30)23-8-9-24-19(16-23)10-15-27(24)25(28)18-4-2-5-18/h3,6-9,16-18,22H,2,4-5,10-15H2,1H3
InChIKeyQXOIZUJCJRRFEZ-UHFFFAOYSA-N
XLogP3.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
1-[5-[1-[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 171429662
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
N-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058919
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660
1-(cyclobutanecarbonyl)-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635249
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 44624183
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone (CID 71305140) is cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone is COc1cccc(N2CCC(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CCC3)CC2)c1.
What is the InChIKey of cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is QXOIZUJCJRRFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-31-21-7-3-6-20(17-21)26-13-11-22(12-14-26)32(29,30)23-8-9-24-19(16-23)10-15-27(24)25(28)18-4-2-5-18/h3,6-9,16-18,22H,2,4-5,10-15H2,1H3.
What are the key properties of cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone?
cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 454.59 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 71305140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).